Information card for entry 7004214

Structure parameters

• Formula: C42 H74 N6 Ni O10
• Calculated formula: C42 H74 N6 Ni O10
• SMILES: C1(=O)C(=O)O[Ni]23N(C(=O)C(=O)O3)c3c(cc(c(c3)N(=O)=O)N(=O)=O)N12.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Transition metal induced derivatisations resulting in novel coordination behaviour of bis(oxamato) ligands
• Authors of publication: Rüffer, Tobias; Bräuer, Björn; Meva, François Eya'ane; Walfort, Bernhard
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 5089 - 5098
• a: 10.656 ± 0.0009 Å
• b: 11.098 ± 0.001 Å
• c: 11.793 ± 0.001 Å
• α: 115.967 ± 0.008°
• β: 107.976 ± 0.011°
• γ: 94.79 ± 0.007°
• Cell volume: 1153 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No